2,7-dimethyloctane-2,4-diamine

C10H24N2 — CID 57200286

IUPAC2,7-dimethyloctane-2,4-diamine
SMILESCC(C)CCC(N)CC(C)(C)N
InChIInChI=1S/C10H24N2/c1-8(2)5-6-9(11)7-10(3,4)12/h8-9H,5-7,11-12H2,1-4H3
InChIKeyYSLRKXWESFWPEE-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds5

About 2,7-dimethyloctane-2,4-diamine

2,7-dimethyloctane-2,4-diamine (PubChem CID 57200286) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2,7-dimethyloctane-2,4-diamine.

Molecular Properties

Compound Name2,7-dimethyloctane-2,4-diamine
PubChem CID57200286
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2,7-dimethyloctane-2,4-diamine
SMILESCC(C)CCC(N)CC(C)(C)N
InChIInChI=1S/C10H24N2/c1-8(2)5-6-9(11)7-10(3,4)12/h8-9H,5-7,11-12H2,1-4H3
InChIKeyYSLRKXWESFWPEE-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2,7-dimethyloctan-4-amine
CID 103025052
2,8-dimethylnonan-5-amine
CID 15030000
(4S)-2-methylpentane-2,4-diamine
CID 55284810
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
2-methylbutan-2-amine;3-methylbutan-1-amine
CID 159699136
(4S)-2,4,6,6-tetramethylheptan-2-amine
CID 167006603
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
2-amino-2,6-dimethylheptan-3-one
CID 116560063
2-methyl-4-N-(2-methylpropyl)pentane-2,4-diamine
CID 88754730
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
1,4-diamino-4-methylpentane-2-thiol
CID 174430378
2,34-dimethylpentatriacontan-18-amine
CID 141007495

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloctane-2,4-diamine?
The IUPAC name of 2,7-dimethyloctane-2,4-diamine (CID 57200286) is 2,7-dimethyloctane-2,4-diamine.
What is the SMILES notation for 2,7-dimethyloctane-2,4-diamine?
The canonical SMILES for 2,7-dimethyloctane-2,4-diamine is CC(C)CCC(N)CC(C)(C)N.
What is the InChIKey of 2,7-dimethyloctane-2,4-diamine?
The InChIKey is YSLRKXWESFWPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2)5-6-9(11)7-10(3,4)12/h8-9H,5-7,11-12H2,1-4H3.
What are the key properties of 2,7-dimethyloctane-2,4-diamine?
2,7-dimethyloctane-2,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloctane-2,4-diamine is sourced from PubChem (CID 57200286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).